5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one
TL;DR: 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one (CAS 118112-20-2) is a chemical compound with molecular formula C8H5FO and molecular weight 136.03244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
Also Known As: 5-Fluorobicyclo[4.2.0]octa-1,3,5-trien-7-one, 5-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one, 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one, N-<3-(2-pyridyl)isoquinolin-1-yl>-2-pyridinecarboxamidine, 818-655-3
Technical Specifications
| Molecular Formula | C8H5FO |
| Molecular Weight | 136.03244 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.03244 Da |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
| SMILES | C1C2=C(C1=O)C(=CC=C2)F |
| InChIKey | RUAXHQAMPKVKRL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one
Property Insights of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one?
The CAS number of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one is 118112-20-2.
What is the molecular formula of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one?
The molecular formula of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one is C8H5FO.
What is the molecular weight of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one?
The molecular weight of 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one is 136.03244 g/mol.
Where can I buy 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one?
You can request a quote for 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one?
Yes, CoreyChem provides custom synthesis services for 5-Fluorobicyclo(4.2.0)octa-1(6),2,4-trien-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.